Calcium in PDB 3rv5: Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid

The structure of Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid, PDB code: 3rv5 was solved by A.Y.Li, J.Lee, D.Borek, Z.Otwinowski, G.Tibbits, M.Paetzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.01 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.844, 81.783, 100.469, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28.1

The structure of Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid also contains other interesting chemical elements:

Cadmium

(Cd)

21 atoms

The binding sites of Calcium atom in the Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid (pdb code 3rv5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid, PDB code: 3rv5:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca109 b:47.5 occ:1.00 OE2 B:GLU66 2.3 56.6 1.0 O A:HOH136 3.3 40.0 1.0 CD B:GLU66 3.6 52.0 1.0 OE2 A:GLU32 3.9 40.3 1.0 CG1 A:VAL28 4.3 26.0 1.0 OE1 B:GLU66 4.3 47.9 1.0 CG B:GLU66 4.6 48.1 1.0 OD2 B:ASP75 4.7 31.7 1.0 CD A:GLU32 4.9 36.5 1.0 CB B:GLU66 5.0 42.7 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca108 b:56.2 occ:1.00 OE2 B:GLU63 2.3 46.9 1.0 OE2 B:GLU59 2.5 58.9 1.0 O B:HOH145 2.6 35.9 1.0 CD B:GLU63 3.0 44.9 1.0 OE1 B:GLU63 3.1 45.2 1.0 CD B:GLU59 3.6 50.0 1.0 O B:HOH135 3.7 53.8 1.0 CG B:GLU59 3.9 44.2 1.0 O B:HOH131 4.2 24.4 1.0 CD B:CD106 4.5 54.8 1.0 CG B:GLU63 4.5 39.8 1.0 OE1 B:GLU59 4.7 56.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca106 b:69.1 occ:1.00 OE1 C:GLU32 2.6 53.6 1.0 OD2 D:ASP75 2.9 38.7 1.0 CD C:GLU32 3.3 49.3 1.0 O D:HOH118 3.4 37.1 1.0 O C:HOH125 3.6 22.0 1.0 CG D:ASP75 3.8 33.8 1.0 OE2 C:GLU32 3.8 51.0 1.0 O D:HOH120 3.9 32.3 1.0 CB D:ASP75 4.3 32.6 1.0 CG C:GLU32 4.4 41.8 1.0 O C:HOH135 4.5 30.9 1.0 CD D:CD104 4.5 39.5 1.0 OD1 D:ASP75 4.7 37.7 1.0 CG1 C:VAL28 4.9 33.4 1.0

A.Y.Li, J.Lee, D.Borek, Z.Otwinowski, G.F.Tibbits, M.Paetzel. Crystal Structure of Cardiac Troponin C Regulatory Domain in Complex with Cadmium and Deoxycholic Acid Reveals Novel Conformation. J.Mol.Biol. V. 413 699 2011.
ISSN: ISSN 0022-2836
PubMed: 21920370
DOI: 10.1016/J.JMB.2011.08.049